9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate

C22H26N2O2 — CID 154574605

IUPAC9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate
SMILESCC[C@H]1CN[C@H](C)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-3-16-12-23-15(2)13-24(16)22(25)26-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,15-16,21,23H,3,12-14H2,1-2H3/t15-,16+/m1/s1
InChIKeyFNJFOPATAZBEDX-CVEARBPZSA-N
MW350.46 g/mol
LogP4.01
Rot. Bonds3

About 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate

9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate (PubChem CID 154574605) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate
PubChem CID154574605
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate
SMILESCC[C@H]1CN[C@H](C)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-3-16-12-23-15(2)13-24(16)22(25)26-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,15-16,21,23H,3,12-14H2,1-2H3/t15-,16+/m1/s1
InChIKeyFNJFOPATAZBEDX-CVEARBPZSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10830778
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CID 154574606
9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991
6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 165476462
2-[(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypyrrolidin-2-yl]acetic acid
CID 155821603
9H-fluoren-9-ylmethyl 3-hydroxy-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67049085
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate (CID 154574605) is 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate is CC[C@H]1CN[C@H](C)CN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate?
The InChIKey is FNJFOPATAZBEDX-CVEARBPZSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-16-12-23-15(2)13-24(16)22(25)26-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,15-16,21,23H,3,12-14H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate is sourced from PubChem (CID 154574605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).